3-(4,5-Dihydro-1H-imidazol-2-yl)aniline
TL;DR: 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline (CAS 94086-79-0) is a chemical compound with molecular formula C9H11N3 and molecular weight 161.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4,5-dihydro-1H-imidazol-2-yl)aniline
Also Known As: 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline, TimTec1_001665, BEN269, BEN451, EINECS 301-869-1
| Molecular Formula | C9H11N3 |
|---|---|
| Molecular Weight | 161.10 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 161.09529 |
| Heavy Atoms | 12 |
| Complexity | 188.0 |
Chemical Identifiers
| CAS Number | 94086-79-0 |
|---|---|
| SMILES | C1CN=C(N1)C2=CC(=CC=C2)N |
| InChIKey | HCJAVYDERMMIDO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(4,5-Dihydro-1H-imidazol-2-yl)aniline (CAS 94086-79-0), with molecular formula C9H11N3 and molecular weight 161.10 g/mol. IUPAC: 3-(4,5-dihydro-1H-imidazol-2-yl)aniline.
Chemical Property Profile of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline
Property Insights of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline. With a topological polar surface area (TPSA) of 50.4 Ų, 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline?
The CAS number of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline is 94086-79-0.
What is the molecular formula of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline?
The molecular formula of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline is C9H11N3.
What is the molecular weight of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline?
The molecular weight of 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline is 161.10 g/mol.
Where can I buy 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline?
You can request a quote for 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 3-(4,5-Dihydro-1H-imidazol-2-yl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.